4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide

C19H31N5O2 — CID 126430553

IUPAC4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
SMILESCc1cnc(C)c(N2CCN(C(=O)NCCCC[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-15-14-21-16(2)18(22-15)23-9-11-24(12-10-23)19(25)20-8-4-3-6-17-7-5-13-26-17/h14,17H,3-13H2,1-2H3,(H,20,25)/t17-/m0/s1
InChIKeyKDNNBUTWHZYBOY-KRWDZBQOSA-N
MW361.49 g/mol
LogP2.27
Rot. Bonds6

About 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide

4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide (PubChem CID 126430553) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
PubChem CID126430553
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
SMILESCc1cnc(C)c(N2CCN(C(=O)NCCCC[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-15-14-21-16(2)18(22-15)23-9-11-24(12-10-23)19(25)20-8-4-3-6-17-7-5-13-26-17/h14,17H,3-13H2,1-2H3,(H,20,25)/t17-/m0/s1
InChIKeyKDNNBUTWHZYBOY-KRWDZBQOSA-N
XLogP2.27
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide
CID 121495825
4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
CID 121498779
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
CID 118792595
N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 166203151
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide (CID 126430553) is 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide is Cc1cnc(C)c(N2CCN(C(=O)NCCCC[C@H]3CCCO3)CC2)n1.
What is the InChIKey of 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide?
The InChIKey is KDNNBUTWHZYBOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-14-21-16(2)18(22-15)23-9-11-24(12-10-23)19(25)20-8-4-3-6-17-7-5-13-26-17/h14,17H,3-13H2,1-2H3,(H,20,25)/t17-/m0/s1.
What are the key properties of 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide?
4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide is sourced from PubChem (CID 126430553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).